COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762964
Chemical Name: 4-(3,4-dimethylphenyl)-2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl}phthalazin-1(2H)-one
Smiles: OCCN1CCN(CC1)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)[N+](=O)[O-]

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Molecular Weight: 499.57
Empirical Formula: C28H29N5O4

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 4.666
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 5

     

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